trans-(1R,5S)-1,5-dimethylcyclononan-1-amine

C11H23N — CID 130457734

IUPACtrans-(1R,5S)-1,5-dimethylcyclononan-1-amine
SMILESC[C@H]1CCCC[C@@](C)(N)CCC1
InChIInChI=1S/C11H23N/c1-10-6-3-4-8-11(2,12)9-5-7-10/h10H,3-9,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyOPBJCZQISZYAPU-WDEREUQCSA-N
MW169.31 g/mol
LogP3.08
Rot. Bonds

About trans-(1R,5S)-1,5-dimethylcyclononan-1-amine

trans-(1R,5S)-1,5-dimethylcyclononan-1-amine (PubChem CID 130457734) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is trans-(1R,5S)-1,5-dimethylcyclononan-1-amine.

Molecular Properties

Compound Nametrans-(1R,5S)-1,5-dimethylcyclononan-1-amine
PubChem CID130457734
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nametrans-(1R,5S)-1,5-dimethylcyclononan-1-amine
SMILESC[C@H]1CCCC[C@@](C)(N)CCC1
InChIInChI=1S/C11H23N/c1-10-6-3-4-8-11(2,12)9-5-7-10/h10H,3-9,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyOPBJCZQISZYAPU-WDEREUQCSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,6-dimethylcyclodecan-1-amine
CID 163518000
1,4-dimethylcycloheptan-1-amine
CID 65080006
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
1,1,5-trimethylcycloundecane
CID 161434950
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
CID 123161961
CID 123161961
1,1,4-trimethylcyclononane
CID 71397842
methylcyclopentane
CID 7296
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
erbium;tris(methylcyclopentane)
CID 91996115
cyclohexane;methylcyclopentane
CID 20788572
CID 158187464
CID 158187464

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5S)-1,5-dimethylcyclononan-1-amine?
The IUPAC name of trans-(1R,5S)-1,5-dimethylcyclononan-1-amine (CID 130457734) is trans-(1R,5S)-1,5-dimethylcyclononan-1-amine.
What is the SMILES notation for trans-(1R,5S)-1,5-dimethylcyclononan-1-amine?
The canonical SMILES for trans-(1R,5S)-1,5-dimethylcyclononan-1-amine is C[C@H]1CCCC[C@@](C)(N)CCC1.
What is the InChIKey of trans-(1R,5S)-1,5-dimethylcyclononan-1-amine?
The InChIKey is OPBJCZQISZYAPU-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23N/c1-10-6-3-4-8-11(2,12)9-5-7-10/h10H,3-9,12H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of trans-(1R,5S)-1,5-dimethylcyclononan-1-amine?
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5S)-1,5-dimethylcyclononan-1-amine is sourced from PubChem (CID 130457734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).